public static RawTimeIntensities FromChromatogramGroupData(ChromatogramGroupData chromatogramGroupData)
{
var timeIntensitiesList = new List <TimeIntensities>();
var timeLists = chromatogramGroupData.TimeLists.Select(timeList => ImmutableList.ValueOf(timeList.Times)).ToArray();
var scanIdLists = chromatogramGroupData.ScanIdLists
.Select(scanIdList => ImmutableList.ValueOf(scanIdList.ScanIds)).ToArray();
foreach (var chromatogram in chromatogramGroupData.Chromatograms)
{
IEnumerable <float> massErrors = null;
if (chromatogram.MassErrors100X.Count > 0)
{
massErrors = chromatogram.MassErrors100X.Select(error => error / 100.0f);
}
else if (chromatogram.MassErrorsDeprecated.Count > 0)
{
massErrors = chromatogram.MassErrorsDeprecated;
}
var timeIntensities = new TimeIntensities(timeLists[chromatogram.TimeListIndex - 1],
chromatogram.Intensities,
massErrors,
chromatogram.ScanIdListIndex == 0 ? null : scanIdLists[chromatogram.ScanIdListIndex - 1]);
timeIntensitiesList.Add(timeIntensities);
}
InterpolationParams interpolationParams;
if (chromatogramGroupData.InterpolatedNumPoints == 0)
{
interpolationParams = null;
}
else
{
interpolationParams = new InterpolationParams(chromatogramGroupData.InterpolatedStartTime, chromatogramGroupData.InterpolatedEndTime, chromatogramGroupData.InterpolatedNumPoints, chromatogramGroupData.InterpolatedDelta)
.ChangeInferZeroes(chromatogramGroupData.InferZeroes);
}
var rawTimeIntensities = new RawTimeIntensities(timeIntensitiesList, interpolationParams);
if (chromatogramGroupData.TimeIntervals != null)
{
var startTimes = chromatogramGroupData.TimeIntervals.StartTimes;
var endTimes = chromatogramGroupData.TimeIntervals.EndTimes;
var timeIntervals = TimeIntervals.FromIntervals(Enumerable.Range(0, startTimes.Count)
.Select(i => new KeyValuePair <float, float>(startTimes[i], endTimes[i])));
rawTimeIntensities = rawTimeIntensities.ChangeTimeIntervals(timeIntervals);
}
return(rawTimeIntensities);
}
public ChromData Truncate(double minTime, double maxTime)
{
if (!ReferenceEquals(Times, RawTimes))
{
throw new InvalidOperationException("Cannot truncate data set after interpolation"); // Not L10N
}
if (Peaks.Count > 0)
{
throw new InvalidOperationException("Cannot truncate after peak detection"); // Not L10N
}
// Avoid truncating chromatograms down to something less than half the window width.
double minLength = (maxTime - minTime) / 2;
minTime = Math.Min(minTime, Times[Times.Count - 1] - minLength);
maxTime = Math.Max(maxTime, Times[0] + minLength);
int firstIndex = CollectionUtil.BinarySearch(Times, (float)minTime);
if (firstIndex < 0)
{
firstIndex = ~firstIndex;
firstIndex = Math.Max(firstIndex, 0);
}
int lastIndex = CollectionUtil.BinarySearch(Times, (float)maxTime);
if (lastIndex < 0)
{
lastIndex = ~lastIndex + 1;
lastIndex = Math.Min(lastIndex, Times.Count - 1);
}
if (firstIndex >= lastIndex)
{
return(this);
}
if (firstIndex == 0 && lastIndex == Times.Count - 1)
{
return(this);
}
var newChromData = new ChromData(Key, ProviderId)
{
Extra = Extra,
};
newChromData.TimeIntensities = newChromData.RawTimeIntensities =
RawTimeIntensities.Truncate(Times[firstIndex], Times[lastIndex]);
newChromData.DocNode = DocNode;
return(newChromData);
}
